Hmdb loader
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-06 15:16:50 UTC
Update Date2022-03-07 02:51:48 UTC
HMDB IDHMDB0014971
Secondary Accession Numbers
  • HMDB14971
Metabolite Identification
Common NameCefaclor
DescriptionCefaclor is only found in individuals that have used or taken this drug. It is a semisynthetic, broad-spectrum antibiotic derivative of cephalexin. [PubChem]Cefaclor, like the penicillins, is a beta-lactam antibiotic. By binding to specific penicillin-binding proteins (PBPs) located inside the bacterial cell wall, it inhibits the third and last stage of bacterial cell wall synthesis. Cell lysis is then mediated by bacterial cell wall autolytic enzymes such as autolysins. It is possible that cefaclor interferes with an autolysin inhibitor.
Structure
Data?1582753243
Synonyms
ValueSource
3-Chloro-7-D-(2-phenylglycinamido)-3-cephem-4-carboxylic acidChEBI
CCLChEBI
Cefaclor anhydrousChEBI
CefaclorumChEBI
CephaclorChEBI
AlenfralKegg
3-Chloro-7-D-(2-phenylglycinamido)-3-cephem-4-carboxylateGenerator
Cefaclor monohydrateHMDB
KeclorHMDB
Lilly 99638HMDB
Anhydrous, cefaclorHMDB
CeclorHMDB
Monohydrate, cefaclorHMDB
Chemical FormulaC15H14ClN3O4S
Average Molecular Weight367.807
Monoisotopic Molecular Weight367.039354348
IUPAC Name(6R,7R)-7-[(2R)-2-amino-2-phenylacetamido]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Traditional Namecefaclor
CAS Registry Number53994-73-3
SMILES
[H][C@]12SCC(Cl)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=CC=C1)C(O)=O
InChI Identifier
InChI=1S/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9-10,14H,6,17H2,(H,18,20)(H,22,23)/t9-,10-,14-/m1/s1
InChI KeyQYIYFLOTGYLRGG-GPCCPHFNSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. N-acyl-alpha amino acids and derivatives are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentN-acyl-alpha amino acids and derivatives
Alternative Parents
Substituents
  • N-acyl-alpha amino acid or derivatives
  • Cephem
  • Aralkylamine
  • Meta-thiazine
  • Monocyclic benzene moiety
  • Benzenoid
  • Beta-lactam
  • Tertiary carboxylic acid amide
  • Vinylogous halide
  • Azetidine
  • Amino acid
  • Carboxamide group
  • Lactam
  • Carboximidic acid
  • Carboximidic acid derivative
  • Carboxylic acid
  • Azacycle
  • Chloroalkene
  • Monocarboxylic acid or derivatives
  • Haloalkene
  • Organoheterocyclic compound
  • Thioether
  • Hemithioaminal
  • Vinyl chloride
  • Vinyl halide
  • Dialkylthioether
  • Propargyl-type 1,3-dipolar organic compound
  • Organic 1,3-dipolar compound
  • Carbonyl group
  • Organohalogen compound
  • Organochloride
  • Organonitrogen compound
  • Organooxygen compound
  • Primary amine
  • Organic nitrogen compound
  • Amine
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Organopnictogen compound
  • Primary aliphatic amine
  • Organic oxide
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point327 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility0.21 g/LNot Available
LogP0.4Not Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.21 g/LALOGPS
logP0.85ALOGPS
logP-2.3ChemAxon
logS-3.2ALOGPS
pKa (Strongest Acidic)3.03ChemAxon
pKa (Strongest Basic)7.44ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area112.73 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity89.56 m³·mol⁻¹ChemAxon
Polarizability35.11 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M-2H]-211.32130932474
DeepCCS[M+Na]+186.41930932474
AllCCS[M+H]+179.732859911
AllCCS[M+H-H2O]+177.032859911
AllCCS[M+NH4]+182.332859911
AllCCS[M+Na]+183.032859911
AllCCS[M-H]-177.332859911
AllCCS[M+Na-2H]-177.232859911
AllCCS[M+HCOO]-177.232859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Cefaclor[H][C@]12SCC(Cl)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=CC=C1)C(O)=O4331.5Standard polar33892256
Cefaclor[H][C@]12SCC(Cl)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=CC=C1)C(O)=O2631.9Standard non polar33892256
Cefaclor[H][C@]12SCC(Cl)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=CC=C1)C(O)=O3226.4Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Cefaclor,1TMS,isomer #1C[Si](C)(C)OC(=O)C1=C(Cl)CS[C@@H]2[C@H](NC(=O)[C@H](N)C3=CC=CC=C3)C(=O)N123016.9Semi standard non polar33892256
Cefaclor,1TMS,isomer #2C[Si](C)(C)N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@H]12)C1=CC=CC=C13042.9Semi standard non polar33892256
Cefaclor,1TMS,isomer #3C[Si](C)(C)N(C(=O)[C@H](N)C1=CC=CC=C1)[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@H]122929.5Semi standard non polar33892256
Cefaclor,2TMS,isomer #1C[Si](C)(C)N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(Cl)CS[C@H]12)C1=CC=CC=C13004.3Semi standard non polar33892256
Cefaclor,2TMS,isomer #1C[Si](C)(C)N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(Cl)CS[C@H]12)C1=CC=CC=C12797.0Standard non polar33892256
Cefaclor,2TMS,isomer #1C[Si](C)(C)N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(Cl)CS[C@H]12)C1=CC=CC=C14236.1Standard polar33892256
Cefaclor,2TMS,isomer #2C[Si](C)(C)OC(=O)C1=C(Cl)CS[C@@H]2[C@H](N(C(=O)[C@H](N)C3=CC=CC=C3)[Si](C)(C)C)C(=O)N122887.3Semi standard non polar33892256
Cefaclor,2TMS,isomer #2C[Si](C)(C)OC(=O)C1=C(Cl)CS[C@@H]2[C@H](N(C(=O)[C@H](N)C3=CC=CC=C3)[Si](C)(C)C)C(=O)N122794.5Standard non polar33892256
Cefaclor,2TMS,isomer #2C[Si](C)(C)OC(=O)C1=C(Cl)CS[C@@H]2[C@H](N(C(=O)[C@H](N)C3=CC=CC=C3)[Si](C)(C)C)C(=O)N124455.3Standard polar33892256
Cefaclor,2TMS,isomer #3C[Si](C)(C)N([C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@H]12)C1=CC=CC=C1)[Si](C)(C)C2981.4Semi standard non polar33892256
Cefaclor,2TMS,isomer #3C[Si](C)(C)N([C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@H]12)C1=CC=CC=C1)[Si](C)(C)C2882.3Standard non polar33892256
Cefaclor,2TMS,isomer #3C[Si](C)(C)N([C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@H]12)C1=CC=CC=C1)[Si](C)(C)C4321.3Standard polar33892256
Cefaclor,2TMS,isomer #4C[Si](C)(C)N[C@@H](C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@H]12)[Si](C)(C)C)C1=CC=CC=C12918.0Semi standard non polar33892256
Cefaclor,2TMS,isomer #4C[Si](C)(C)N[C@@H](C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@H]12)[Si](C)(C)C)C1=CC=CC=C12846.5Standard non polar33892256
Cefaclor,2TMS,isomer #4C[Si](C)(C)N[C@@H](C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@H]12)[Si](C)(C)C)C1=CC=CC=C14132.8Standard polar33892256
Cefaclor,3TMS,isomer #1C[Si](C)(C)OC(=O)C1=C(Cl)CS[C@@H]2[C@H](NC(=O)[C@@H](C3=CC=CC=C3)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N122963.4Semi standard non polar33892256
Cefaclor,3TMS,isomer #1C[Si](C)(C)OC(=O)C1=C(Cl)CS[C@@H]2[C@H](NC(=O)[C@@H](C3=CC=CC=C3)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N122948.0Standard non polar33892256
Cefaclor,3TMS,isomer #1C[Si](C)(C)OC(=O)C1=C(Cl)CS[C@@H]2[C@H](NC(=O)[C@@H](C3=CC=CC=C3)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N123982.3Standard polar33892256
Cefaclor,3TMS,isomer #2C[Si](C)(C)N[C@@H](C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(Cl)CS[C@H]12)[Si](C)(C)C)C1=CC=CC=C12911.1Semi standard non polar33892256
Cefaclor,3TMS,isomer #2C[Si](C)(C)N[C@@H](C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(Cl)CS[C@H]12)[Si](C)(C)C)C1=CC=CC=C12920.0Standard non polar33892256
Cefaclor,3TMS,isomer #2C[Si](C)(C)N[C@@H](C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(Cl)CS[C@H]12)[Si](C)(C)C)C1=CC=CC=C13841.7Standard polar33892256
Cefaclor,3TMS,isomer #3C[Si](C)(C)N(C(=O)[C@@H](C1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@H]122945.8Semi standard non polar33892256
Cefaclor,3TMS,isomer #3C[Si](C)(C)N(C(=O)[C@@H](C1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@H]122997.3Standard non polar33892256
Cefaclor,3TMS,isomer #3C[Si](C)(C)N(C(=O)[C@@H](C1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@H]123916.4Standard polar33892256
Cefaclor,4TMS,isomer #1C[Si](C)(C)OC(=O)C1=C(Cl)CS[C@@H]2[C@H](N(C(=O)[C@@H](C3=CC=CC=C3)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)N122963.0Semi standard non polar33892256
Cefaclor,4TMS,isomer #1C[Si](C)(C)OC(=O)C1=C(Cl)CS[C@@H]2[C@H](N(C(=O)[C@@H](C3=CC=CC=C3)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)N123059.1Standard non polar33892256
Cefaclor,4TMS,isomer #1C[Si](C)(C)OC(=O)C1=C(Cl)CS[C@@H]2[C@H](N(C(=O)[C@@H](C3=CC=CC=C3)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)N123659.8Standard polar33892256
Cefaclor,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C1=C(Cl)CS[C@@H]2[C@H](NC(=O)[C@H](N)C3=CC=CC=C3)C(=O)N123238.0Semi standard non polar33892256
Cefaclor,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@H]12)C1=CC=CC=C13224.8Semi standard non polar33892256
Cefaclor,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)N(C(=O)[C@H](N)C1=CC=CC=C1)[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@H]123158.2Semi standard non polar33892256
Cefaclor,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(Cl)CS[C@H]12)C1=CC=CC=C13405.5Semi standard non polar33892256
Cefaclor,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(Cl)CS[C@H]12)C1=CC=CC=C13204.3Standard non polar33892256
Cefaclor,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(Cl)CS[C@H]12)C1=CC=CC=C14301.7Standard polar33892256
Cefaclor,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C1=C(Cl)CS[C@@H]2[C@H](N(C(=O)[C@H](N)C3=CC=CC=C3)[Si](C)(C)C(C)(C)C)C(=O)N123323.0Semi standard non polar33892256
Cefaclor,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C1=C(Cl)CS[C@@H]2[C@H](N(C(=O)[C@H](N)C3=CC=CC=C3)[Si](C)(C)C(C)(C)C)C(=O)N123190.9Standard non polar33892256
Cefaclor,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C1=C(Cl)CS[C@@H]2[C@H](N(C(=O)[C@H](N)C3=CC=CC=C3)[Si](C)(C)C(C)(C)C)C(=O)N124467.0Standard polar33892256
Cefaclor,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)N([C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@H]12)C1=CC=CC=C1)[Si](C)(C)C(C)(C)C3423.9Semi standard non polar33892256
Cefaclor,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)N([C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@H]12)C1=CC=CC=C1)[Si](C)(C)C(C)(C)C3273.2Standard non polar33892256
Cefaclor,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)N([C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@H]12)C1=CC=CC=C1)[Si](C)(C)C(C)(C)C4298.6Standard polar33892256
Cefaclor,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@@H](C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@H]12)[Si](C)(C)C(C)(C)C)C1=CC=CC=C13314.5Semi standard non polar33892256
Cefaclor,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@@H](C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@H]12)[Si](C)(C)C(C)(C)C)C1=CC=CC=C13270.6Standard non polar33892256
Cefaclor,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@@H](C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@H]12)[Si](C)(C)C(C)(C)C)C1=CC=CC=C14189.8Standard polar33892256
Cefaclor,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C1=C(Cl)CS[C@@H]2[C@H](NC(=O)[C@@H](C3=CC=CC=C3)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N123633.9Semi standard non polar33892256
Cefaclor,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C1=C(Cl)CS[C@@H]2[C@H](NC(=O)[C@@H](C3=CC=CC=C3)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N123514.4Standard non polar33892256
Cefaclor,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C1=C(Cl)CS[C@@H]2[C@H](NC(=O)[C@@H](C3=CC=CC=C3)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N124120.0Standard polar33892256
Cefaclor,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(Cl)CS[C@H]12)[Si](C)(C)C(C)(C)C)C1=CC=CC=C13495.6Semi standard non polar33892256
Cefaclor,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(Cl)CS[C@H]12)[Si](C)(C)C(C)(C)C)C1=CC=CC=C13498.4Standard non polar33892256
Cefaclor,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(Cl)CS[C@H]12)[Si](C)(C)C(C)(C)C)C1=CC=CC=C14059.4Standard polar33892256
Cefaclor,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](C1=CC=CC=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@H]123572.3Semi standard non polar33892256
Cefaclor,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](C1=CC=CC=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@H]123587.8Standard non polar33892256
Cefaclor,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](C1=CC=CC=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@H]124050.3Standard polar33892256
Cefaclor,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C1=C(Cl)CS[C@@H]2[C@H](N(C(=O)[C@@H](C3=CC=CC=C3)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N123767.0Semi standard non polar33892256
Cefaclor,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C1=C(Cl)CS[C@@H]2[C@H](N(C(=O)[C@@H](C3=CC=CC=C3)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N123789.1Standard non polar33892256
Cefaclor,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C1=C(Cl)CS[C@@H]2[C@H](N(C(=O)[C@@H](C3=CC=CC=C3)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N123910.6Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Cefaclor GC-MS (Non-derivatized) - 70eV, Positivesplash10-0a4i-0900000000-72d4be32944ae45064a02017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cefaclor GC-MS (1 TMS) - 70eV, Positivesplash10-004i-6920000000-9aa0a1d7b905f4a167202017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cefaclor GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cefaclor GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Cefaclor LC-ESI-qTof , Positive-QTOFsplash10-00dl-1911000000-144d67b80e602cc735662017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cefaclor LC-ESI-qTof , Positive-QTOFsplash10-05fu-0910000000-50ca0c987760442835512017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cefaclor LC-ESI-QFT , negative-QTOFsplash10-000i-0590000000-34857060856b0cac1c042017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cefaclor LC-ESI-QFT , negative-QTOFsplash10-00p0-1950000000-9f8a92f4a857c98b63ab2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cefaclor LC-ESI-QFT , negative-QTOFsplash10-0ukc-3920000000-86cb2f866ab0595923332017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cefaclor LC-ESI-QFT , negative-QTOFsplash10-0fkl-4910000000-c6f6c93efa7b2b3bc3d22017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cefaclor LC-ESI-QFT , negative-QTOFsplash10-0abc-7900000000-98306dadbeccb72e1ba82017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cefaclor LC-ESI-QFT , negative-QTOFsplash10-0abc-9700000000-f4a33b4825c13beb10242017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cefaclor LC-ESI-QFT , positive-QTOFsplash10-05fr-0900000000-ec391756df89ec0d95442017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cefaclor LC-ESI-QFT , positive-QTOFsplash10-0ab9-0900000000-f3ee64eb3dc5aa9013402017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cefaclor LC-ESI-QFT , positive-QTOFsplash10-0aor-0900000000-c4d5197048a0a6ec18a62017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cefaclor LC-ESI-QFT , positive-QTOFsplash10-0aor-1900000000-5f6c6fcc3196ef576a9d2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cefaclor LC-ESI-QFT , positive-QTOFsplash10-066r-3900000000-5151a520059ba886f4cc2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cefaclor LC-ESI-QFT , positive-QTOFsplash10-066u-6900000000-e164f9cd4b1781b2168d2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cefaclor , positive-QTOFsplash10-00dl-1911000000-144d67b80e602cc735662017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cefaclor , positive-QTOFsplash10-05fu-0910000000-50ca0c987760442835512017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cefaclor 15V, Negative-QTOFsplash10-000i-0590000000-15051a2093569703db272021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cefaclor 30V, Negative-QTOFsplash10-00p0-1950000000-0e536fd1f12aa41f44652021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cefaclor 75V, Positive-QTOFsplash10-066r-3900000000-ba1829fefd11d8f8eaa92021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefaclor 10V, Positive-QTOFsplash10-0a6r-1912000000-f9a304b4509d8ca89efe2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefaclor 20V, Positive-QTOFsplash10-0a6r-2910000000-53590bb778558be665bf2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefaclor 40V, Positive-QTOFsplash10-0a4i-8900000000-d4b848807eae723992042016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefaclor 10V, Negative-QTOFsplash10-0540-0694000000-648c6b229838bcf7e48b2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefaclor 20V, Negative-QTOFsplash10-003i-1922000000-6892cbc88e875d08f1882016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefaclor 40V, Negative-QTOFsplash10-055f-9810000000-9e7b4266b0d2c728b78d2016-08-03Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Membrane
Biospecimen Locations
  • Blood
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB00833 details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB00833 details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB00833
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID46260
KEGG Compound IDC06877
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkCefaclor
METLIN IDNot Available
PubChem Compound51039
PDB IDNot Available
ChEBI ID3478
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Parra FM, Igea JM, Martin JA, Alonso MD, Lezaun A, Sainz T: Serum sickness-like syndrome associated with cefaclor therapy. Allergy. 1992 Aug;47(4 Pt 2):439-40. [PubMed:1456417 ]
  2. Hebert AA, Sigman ES, Levy ML: Serum sickness-like reactions from cefaclor in children. J Am Acad Dermatol. 1991 Nov;25(5 Pt 1):805-8. [PubMed:1802903 ]

Enzymes

General function:
Involved in peroxidase activity
Specific function:
Part of the host defense system of polymorphonuclear leukocytes. It is responsible for microbicidal activity against a wide range of organisms. In the stimulated PMN, MPO catalyzes the production of hypohalous acids, primarily hypochlorous acid in physiologic situations, and other toxic intermediates that greatly enhance PMN microbicidal activity.
Gene Name:
MPO
Uniprot ID:
P05164
Molecular weight:
83867.71
References
  1. Zuccotti G, Dauria E, Torcoletti M, Lodi F, Bernardo L, Riva E: Clinical and pro-host effects of cefaclor in prophylaxis of recurrent otitis media in HIV-infected children. J Int Med Res. 2001 Jul-Aug;29(4):349-54. [PubMed:11675909 ]

Transporters

General function:
Involved in transporter activity
Specific function:
Proton-coupled intake of oligopeptides of 2 to 4 amino acids with a preference for dipeptides. May constitute a major route for the absorption of protein digestion end-products
Gene Name:
SLC15A1
Uniprot ID:
P46059
Molecular weight:
78805.3
References
  1. Han HK, Rhie JK, Oh DM, Saito G, Hsu CP, Stewart BH, Amidon GL: CHO/hPEPT1 cells overexpressing the human peptide transporter (hPEPT1) as an alternative in vitro model for peptidomimetic drugs. J Pharm Sci. 1999 Mar;88(3):347-50. [PubMed:10052994 ]
  2. Luckner P, Brandsch M: Interaction of 31 beta-lactam antibiotics with the H+/peptide symporter PEPT2: analysis of affinity constants and comparison with PEPT1. Eur J Pharm Biopharm. 2005 Jan;59(1):17-24. [PubMed:15567297 ]
General function:
Involved in transporter activity
Specific function:
Proton-coupled intake of oligopeptides of 2 to 4 amino acids with a preference for dipeptides
Gene Name:
SLC15A2
Uniprot ID:
Q16348
Molecular weight:
81782.8
References
  1. Luckner P, Brandsch M: Interaction of 31 beta-lactam antibiotics with the H+/peptide symporter PEPT2: analysis of affinity constants and comparison with PEPT1. Eur J Pharm Biopharm. 2005 Jan;59(1):17-24. [PubMed:15567297 ]